CID 187917

57701-87-8

Structural Information

Molecular Formula
C19H24O7
SMILES
COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=C2)CCCO)O)O)O
InChI
InChI=1S/C19H24O7/c1-25-17-10-13(5-6-14(17)22)19(24)18(11-21)26-16-7-4-12(3-2-8-20)9-15(16)23/h4-7,9-10,18-24H,2-3,8,11H2,1H3
InChIKey
KMYQEVOSRSCASE-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1522 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.159476 184.1
[M+Na]+ 387.141418 188.2
[M-H]- 363.144924 184.0
[M+NH4]+ 382.186023 192.9
[M+K]+ 403.115358 185.2
[M+H-H2O]+ 347.149460 176.3
[M+HCOO]- 409.150401 198.4
[M+CH3COO]- 423.166051 206.9
[M+Na-2H]- 385.126866 182.3
[M]+ 364.15165142 186.1
[M]- 364.15274858 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.